Peak determination is executed with respect to the mass spectrum of a sample to generate a peak list. For each of the plurality of peaks contained in the peak list, a Kendrick mass (KM) of a designated monomer is calculated. An RKM is calculated, the RKM being a fractional part of a value obtained by dividing the KM by the integer mass of the monomer, or a remainder of dividing a nominal Kendrick mass (NKM) by the integer mass of the monomer. A plurality of peaks contained in the peak list and satisfying a grouping condition, including the permissible range of the RKM of the starting point peak, are grouped.

A method of ion mobility and/or mass spectrometry is disclosed in which the ion mobility and/or mass to charge ratio of an ion is determined using an algorithm or relationship that relates the transit time or average ion velocity of the ion through an ion separation device in which one or more time-varying electric field is used to separate ions passing therethrough to one or more parameters for the device, the mass to charge ratio of the ion and the ion mobility of the ion.

The invention relates to a mass spectrometer, having: a gas inlet adapted to supply a sample gas to be ionized to an ionization region of the mass spectrometer, a calibration unit adapted to supply a calibration gas to be ionized to the ionization region, and an ionization unit adapted to ionize the sample gas and/or the calibration gas in the ionization region. The calibration unit includes at least one evaporation source for generating the calibration gas by evaporating a source material. The invention also relates to a method for calibrating a mass spectrometer.

A method of mass spectrometry is disclosed comprising: a step (10) of analysing a reference compound in a first mass spectrometer and outputting mass spectral data in response thereto; a step (20) of analysing the reference compound in a second, different mass spectrometer and outputting mass spectral data in response thereto; and a step (30) of automatically adjusting an operational parameter, duty cycle (e.g. duty cycle of data acquisition), or acquired spectral data of at least one mass spectrometer such that, for the same (given) consumption of reference compound by the spectrometer, the statistical precision of quantification (the number of detected ions) and/or of mass measurement (the mass resolution) by the mass spectrometer is substantially the same as that of the other mass spectrometer. A similar method of ion mobility spectrometry is disclosed.

Provided are a standard sample film for use in laser ablation inductively coupled plasma mass spectrometry, the standard sample film containing an organic substance and having a small variation in signal intensity of an ion of a metal element depending on a measurement position; a standard sample; a method for producing a standard sample film; a sample set; a quantitative analysis method; and a transfer film. The standard sample film of the present invention is a standard sample film for use in laser ablation inductively coupled plasma mass spectrometry, the standard sample film containing a polymer and a metal element, and having a maximum height difference in film thickness of the standard sample film of 0.50 μm or less.

A method for determining a compensation factor parameter, c, for controlling an amount of ions ionised that are injected from an ion storage unit into mass analyser, where c is an adjustment factor that is applied to optimized injection times that are based on an optimized visible charge of a reference sample, the method comprising: detecting at least one mass spectrum for at least one amount of injected ions; determining from the at least one detected mass spectrum, a slope, s(sample), of a linear correlation of a relative m/z shift with visible total charge Q.sub.v of detected mass spectra; determining the compensation factor c as c=s(reference)/s(sample) where s(reference) is the slope of a linear correlation between reference-sample relative m/z shift values and reference-sample visible charge values determined from a plurality of mass spectra detected from a plurality of respective pre-selected amounts of a clean reference sample.

Exemplary embodiments relate to the calibration of mass spectrometry data, and may be especially useful for calibrating collision cross sectional data. These techniques apply assisted (rather than automated) calibration techniques. Context-sensitive user interfaces are presented that allow a user to review matches made by a calibration algorithm, and to override prior selections to improve the fit of a model used to make a calibrating adjustment. The calibrating adjustment can then be applied to past or future data coming from the device in order to normalize it and allow it to be compared to other data.

A CDMS may include an ELIT having a charge detection cylinder (CD), a charge generator for generating a high frequency charge (HFC), a charge sensitive preamplifier (CP) having an input coupled to the CD and an output configured to produce a charge detection signal (CHD) in response to a charge induced on the CD, and a processor configured to (a) control the charge generator to induce an HFC on the CD, (b) control operation of the ELIT to cause a trapped ion to oscillate back and forth through the CD each time inducing a charge thereon, and (c) process CHD to (i) determine a gain factor as a function of the HFC induced on the CD, and (ii) modify a magnitude of the portion of CHD resulting from the charge induced on the CD by the trapped ion passing therethrough as a function of the gain factor.

A first mass spectrum including a fragment ion peak is generated under application of a first ionization method. A second mass spectrum including a molecular ion peak is generated under application of a second ionization method. These mass spectra are synthesized to generate a synthesized mass spectrum. On the synthesized mass spectrum, difference information, such as a mass difference and difference composition, is calculated between the molecular ion peak and the fragment ion peak.

In a mass spectrometer, due to impurities accumulated inside a frame, a withstand voltage may decrease, and electric discharge may occur in an ion source, thereby making it impossible to perform normal measurement. Since a result of abnormality measurement due to the electric discharge cannot be distinguished from measurement abnormality caused by clogging of a tube between a pretreatment unit and a needle, there is a problem in that time is required to identify abnormal portions, and a maintenance property is lowered. As a unit for solving the problem, a return current detection unit connected in series between the frame and an ion source power supply that applies a voltage to the needle and a return current detection unit connected in series between the frame and a counter electrode power supply that applies a voltage to a counter electrode are provided.